Hello Tom,
I am trying to use React to model the reaction of zero valent Fe nanoparticles with bicarbonate in water. I made the input of basis as: HCO3-,Fe (mineral), Na+, Cl-, H+. In the reactant, i chose kinetic mineral as 0.5g Fe, specified surface area (20m2/g) and assumed one rate constant (1e-5). When I ran the script. It said O2 has to be in the basis. So I added O2 into basis. Because my system is essentially anoxic, I made the O2 concentration very low (1nmolal). However, the scripts seemed still to be wrong. It said residual are too large and there is no normal iteration.
Can you give me some suggestions to fix it? I attached my script.
Thanks
Dimin
React_Fe_CO3.rea